| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:27 UTC |
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| Update Date | 2025-03-21 18:00:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030023 |
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| Frequency | 124.0 |
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| Structure | |
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| Chemical Formula | C12H22N2O4S3 |
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| Molecular Mass | 354.0742 |
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| SMILES | CC(=O)NC(CCSC(=S)NCCCCS(C)=O)C(=O)O |
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| InChI Key | WXBZLMVQQYFZPS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidscarbonyl compoundscarboxylic acidsdithiocarbamic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundssulfinyl compoundssulfoxidesthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidesulfenyl compoundn-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amidedithiocarbamic acid estermonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundsulfoxidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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